⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6110762 | 0.70 | P2RX4 (0.46) | — | |
| SCHEMBL5776879 | 0.64 | P2RX4 (0.40) | — | |
| SCHEMBL28757905 | 0.62 | CA12 (0.51) | — | |
| SCHEMBL9442055 | 0.60 | CA1 (0.31) | — | |
| SCHEMBL5771784 | 0.60 | TSHR (0.39) | — | |
| SCHEMBL6110761 | 0.59 | P2RX4 (0.46) | — | |
| Hydrochloric Acid SCHEMBL27640178 | 0.59 | TSHR (0.37) | — | |
| SCHEMBL6034344 | 0.57 | ALDH1A1 (0.33) | — | |
| SCHEMBL12282541 | 0.57 | DPP4 (0.40) | — | |
| SCHEMBL3830145 | 0.56 | ALDH1A1 (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4836945-B2 | — | — | 2011-12-14 | — | — | JP | claimed |
| EP-1761522-A1 | COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA | ELI LILLY AND COMPANY (US) | 2007-03-14 | — | — | EP | claimed |
| WO-2006002342-A1 | COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA | ELI LILLY AND COMPANY (US) | 2006-01-05 | — | — | WO | claimed |